Molecule ID: mol10484
SMILES: Cc1c(Br)cc(Br)c(O)c(=O)c1Br
InChI: InChI=1S/C8H5Br3O2/c1-3-4(9)2-5(10)7(12)8(13)6(3)11/h2H,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | IUPAC digitized pKa | 0 » -1 |
| 5.17 | AttenGpKa training set | 0 » -1 |